Sugi Predict

Sugi Predict / Compounds / SCHEMBL29498451

SCHEMBL29498451

SCHEMBL29498451

CC1(C)CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4ccccc34)n2)CN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 16/20 1.00
▸ CCNH P51946 16/20 1.00
▸ CCNK O75909 14/20 1.00
▸ CDK12 Q9NYV4 14/20 1.00
▸ CCNE1 P24864 13/20 1.00
▸ CDK2 P24941 13/20 1.00
▸ CCNT1 O60563 12/20 1.00
▸ CDK9 P50750 12/20 1.00
▸ MNAT1 P51948 14/20 0.78
▸ CYP2D6 P10635 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22115126 1.00 CDK7 (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24840707 0.90 CCNK (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24839622 0.88 CCNK (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25602824 0.87 CDK7 (0.77) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL22115128 0.86 CCNK (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25329327 0.84 CDK7 (0.89) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25329325 0.84 CDK7 (0.89) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL30203920 0.84 CCNE1 (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL22115125 0.84 CCNE1 (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25597252 0.84 CCNE1 (1.00) CDK7CCNHCCNKCDK12CCNE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022063212-A1 PYRIMIDYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 广州费米子科技有限责任公司 2022-03-31 — — WO disclosed
Send feedback